Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL3749970 | 0.87 | TSHR (0.38) | TSHRCYP3A4ATMTDP1RECQL | |
| SCHEMBL12413758 | 0.86 | TSHR (0.42) | TSHRCYP3A4ATMTDP1RECQL | |
| SCHEMBL106353 | 0.82 | — | — | |
| SCHEMBL3747694 | 0.79 | TSHR (0.43) | TSHRCYP3A4ATMTDP1RECQL | |
| SCHEMBL20307204 | 0.75 | TSHR (0.36) | TSHRCYP3A4ATMTDP1RECQL | |
| SCHEMBL7203010 | 0.72 | ADH1B (0.30) | — | |
| Ethoxycarbonyl Group SCHEMBL11240517 | 0.72 | ALDH1A1 (0.39) | TSHRCYP3A4ALDH1A1 | |
| SCHEMBL14397204 | 0.72 | TSHR (0.34) | TSHRCYP3A4ATMTDP1 | |
| SCHEMBL13767910 | 0.72 | TSHR (0.43) | TSHRCYP3A4ATMTDP1RECQL | |
| SCHEMBL245036 | 0.72 | CYP3A4 (0.66) | TSHRCYP3A4ATMTDP1RECQL |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9079850-B2 | Cosmetic compositions containing esters of 2-ethylbutanol | COGNIS IP MANAGEMENT GMBH (DE) | 2015-07-14 | — | — | US | disclosed |
| US-20100292328-A1 | Cosmetic Compositions Containing Esters of 2-ethylbutanol | COGNIS IP MANAGEMENT GMBH (DE) | 2010-11-18 | — | — | US | disclosed |